BDBM50178220 CHEMBL3814550::US10206931, Example 57
SMILES: C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1
InChI Key: InChIKey=RUOHSEWJRWMCPQ-GFCCVEGCSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CREB-binding protein (Homo sapiens (Human)) | BDBM50178220 (CHEMBL3814550 | US10206931, Example 57) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge... | ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50178220 (CHEMBL3814550 | US10206931, Example 57) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay | ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BRD4 BD1 (aa 42-168) (Homo sapiens (Human)) | BDBM50178220 (CHEMBL3814550 | US10206931, Example 57) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 4.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent | Assay Description His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ... | US Patent US10206931 (2019) BindingDB Entry DOI: 10.7270/Q2GM89FR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CREB-binding protein (Homo sapiens (Human)) | BDBM50178220 (CHEMBL3814550 | US10206931, Example 57) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent | Assay Description His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ... | US Patent US10206931 (2019) BindingDB Entry DOI: 10.7270/Q2GM89FR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
CREB-binding protein (Homo sapiens (Human)) | BDBM50178220 (CHEMBL3814550 | US10206931, Example 57) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay | ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |